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CHEMBRIDGE-ZINC00167275

 MMsINC code: MMs00592663
Type: Neutral
Formula: C14H23NO2
SMILES:   O=C1CC2(CCC1(C)C2(C)C)C(=O)NC(C)C
InChI:   InChI=1/C14H23NO2/c1-9(2)15-11(17)14-7-6-13(5,10(16)8-14)12(14,3)4/h9H,6-8H2,1-5H3,(H,15,17)/t13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=64.1655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -2.15352  SlogP: 2.2965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179696  Sterimol/B1: 3.42791  Sterimol/B2: 3.56885  Sterimol/B3: 4.09284
  Sterimol/B4: 4.98114  Sterimol/L: 13.1753 
 
 Surface and Volume Properties
  Accessible surface: 454.552  Positive charged surface: 300.319  Negative charged surface: 154.232  Volume: 249.75
  Hydrophobic surface: 309.982  Hydrophilic surface: 144.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.